Problem with running newly installed vasp
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- Newbie
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- Joined: Thu Dec 10, 2015 2:48 pm
Problem with running newly installed vasp
I am new to VASP. I have installed VASP 5.3 on my Intel () workstation. When I run any example file I find this error.
hwangslab@hwangslab:~/Downloads/for_Nadeem$ mpirun -np 4 vasp > output
hwangslab@hwangslab:~/Downloads/for_Nadeem$ cat output
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on 1 cores, 4 groups
using from now: INCAR
vasp.5.3.5 31Mar14 (build Dec 06 2015 07:34:44) complex
POSCAR found type information on POSCAR Sr Ti O
POSCAR found : 3 types and 40 ions
-----------------------------------------------------------------------------
| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| You have a (more or less) 'large supercell' and for larger cells |
| it might be more efficient to use real space projection opertators |
| So try LREAL= Auto in the INCAR file. |
| Mind: At the moment your POTCAR file does not contain real space |
| projectors, and has to be modified, BUT if you |
| want to do an extremely accurate calculation you might also keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.) |
| |
-----------------------------------------------------------------------------
LDA part: xc-table for Pade appr. of Perdew
VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
hwangslab@hwangslab:~/Downloads/for_Nadeem$
Please help me to figure out what I am doing wrong.
hwangslab@hwangslab:~/Downloads/for_Nadeem$ mpirun -np 4 vasp > output
hwangslab@hwangslab:~/Downloads/for_Nadeem$ cat output
running on 4 total cores
distrk: each k-point on 4 cores, 1 groups
distr: one band on 1 cores, 4 groups
using from now: INCAR
vasp.5.3.5 31Mar14 (build Dec 06 2015 07:34:44) complex
POSCAR found type information on POSCAR Sr Ti O
POSCAR found : 3 types and 40 ions
-----------------------------------------------------------------------------
| |
| ADVICE TO THIS USER RUNNING 'VASP/VAMP' (HEAR YOUR MASTER'S VOICE ...): |
| |
| You have a (more or less) 'large supercell' and for larger cells |
| it might be more efficient to use real space projection opertators |
| So try LREAL= Auto in the INCAR file. |
| Mind: At the moment your POTCAR file does not contain real space |
| projectors, and has to be modified, BUT if you |
| want to do an extremely accurate calculation you might also keep the |
| reciprocal projection scheme (i.e. LREAL=.FALSE.) |
| |
-----------------------------------------------------------------------------
LDA part: xc-table for Pade appr. of Perdew
VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
VERY BAD NEWS! internal error in subroutine SGRGEN:
Too many elements 49
hwangslab@hwangslab:~/Downloads/for_Nadeem$
Please help me to figure out what I am doing wrong.
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- Global Moderator
- Posts: 1817
- Joined: Mon Nov 18, 2019 11:00 am
Re: Problem with running newly installed vasp
Hi,
We're sorry that we didn’t answer your question. This does not live up to the quality of support that we aim to provide. The team has since expanded. If we can still help with your problem, please ask again in a new post, linking to this one, and we will answer as quickly as possible.
Best wishes,
VASP